9-(phenylmethyl)-8-pyrrolidin-1-yl-3H-purin-6-one

Systemtic Name: 9-(phenylmethyl)-8-pyrrolidin-1-yl-3H-purin-6-one Openeye Name: 9-benzyl-8-pyrrolidin-1-yl-3H-purin-6-one CAS Name: 9-(phenylmethyl)-8-(1-pyrrolidinyl)-3H-purin-6-one IUPAC Name: 9-benzyl-8-pyrrolidin-1-yl-3H-purin-6-one Traditional Name: 9-benzyl-8-pyrrolidino-3H-purin-6-one Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C16H17N5O/c22-15-13-14(17-11-18-15)21(10-12-6-2-1-3-7-12)16(19-13)20-8-4-5-9-20/h1-3,6-7,11H,4-5,8-10H2,(H,17,18,22)